SCHEMBL25432299

SCHEMBL25432299

COc1nc(C2=CCN(C(=O)OC(C)(C)C)C2)cc2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.40
▸ GRM1 Q13255 10/20 0.39
▸ GRM5 P41594 9/20 0.39
▸ PDK4 Q16654 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ EHMT2 Q96KQ7 2/20 0.36
▸ ESR2 Q92731 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ TNK2 Q07912 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31208023 1.00 CYP11B2 (0.40) CYP11B2GRM1GRM5PDK4NAMPT
SCHEMBL26026978 0.86 GRM1 (0.38) CYP11B2GRM1GRM5PDK4NAMPT
SCHEMBL25431228 0.80 PDK4 (0.37) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL25362816 0.76 GRM1 (0.41) GRM1GRM5PDK4NAMPTNR1H2
SCHEMBL30496081 0.76 GRM1 (0.41) GRM1GRM5PDK4NAMPTNR1H2
SCHEMBL25431963 0.76 GRM1 (0.43) GRM1GRM5PDK4JAK1
SCHEMBL31208020 0.76 GRM1 (0.43) GRM1GRM5PDK4JAK1
SCHEMBL31208014 0.75 PDE4B (0.46) EHMT2
SCHEMBL25432160 0.75 PDE4B (0.46) EHMT2
SCHEMBL31208006 0.74 GRM1 (0.38) GRM1GRM5PDE10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4674841-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2026-01-07 — — EP disclosed
EP-4444305-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-10-16 — — EP disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 — — WO disclosed
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